Attention

WARNING: From 8am on 30th June until 5pm on 4th July 2025, there will be no access to the Stanage HPC cluster.

We will try to minimise this downtime and it is possible that Stanage will return to service before 4th July. We will notify you by email when Stanage is back online and available for job submission.

Rosetta

Rosetta

Versions:

2023.35

Dependencies:

No prerequisite modules loaded

URL:

https://www.rosettacommons.org/

Documentation:

https://www.rosettacommons.org/docs/latest/Home

Rosetta is a comprehensive software suite for modeling macromolecular structures. As a flexible, multi-purpose application, it includes tools for structure prediction, design, and remodeling of proteins and nucleic acids. Since 1998, Rosetta web servers have run billions of structure prediction and protein design simulations, and billions or trillions more have been run on supercomputer clusters.

Usage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:

srun --pty bash -i

Rosetta can be activated by loading the module:

Icelake

module load Rosetta/2023.35

The above module file adds the Rosetta executables to a user’s path.

Installation notes

Rosetta 2023.35 was installed using the install_rosetta.sh script; the module file is /opt/apps/testapps/el7/modules/staging/all/rosetta/2023.35.lua. The installation of Rosetta weekly release 2023.35 was a binary installation.